全文获取类型
收费全文 | 2089篇 |
免费 | 427篇 |
国内免费 | 509篇 |
专业分类
化学 | 2036篇 |
晶体学 | 25篇 |
力学 | 9篇 |
综合类 | 11篇 |
数学 | 29篇 |
物理学 | 915篇 |
出版年
2024年 | 3篇 |
2023年 | 14篇 |
2022年 | 51篇 |
2021年 | 88篇 |
2020年 | 79篇 |
2019年 | 80篇 |
2018年 | 59篇 |
2017年 | 75篇 |
2016年 | 71篇 |
2015年 | 142篇 |
2014年 | 130篇 |
2013年 | 188篇 |
2012年 | 164篇 |
2011年 | 180篇 |
2010年 | 168篇 |
2009年 | 180篇 |
2008年 | 153篇 |
2007年 | 199篇 |
2006年 | 133篇 |
2005年 | 145篇 |
2004年 | 151篇 |
2003年 | 128篇 |
2002年 | 84篇 |
2001年 | 45篇 |
2000年 | 47篇 |
1999年 | 37篇 |
1998年 | 36篇 |
1997年 | 17篇 |
1996年 | 32篇 |
1995年 | 19篇 |
1994年 | 19篇 |
1993年 | 15篇 |
1992年 | 16篇 |
1991年 | 8篇 |
1990年 | 10篇 |
1989年 | 6篇 |
1988年 | 3篇 |
1987年 | 4篇 |
1986年 | 6篇 |
1985年 | 4篇 |
1982年 | 2篇 |
1981年 | 4篇 |
1980年 | 8篇 |
1979年 | 6篇 |
1978年 | 4篇 |
1977年 | 6篇 |
1975年 | 1篇 |
1974年 | 1篇 |
1973年 | 1篇 |
1969年 | 1篇 |
排序方式: 共有3025条查询结果,搜索用时 15 毫秒
51.
利用平面波展开法,发现双原子正方晶格光子晶体中ΓM方向边界面存在着快慢两类边界模式,并且通过计算色散关系和电场分布研究了边界参量对这两类边界模式传输特性的影响.依据两种模式的色散关系,计算了群指数和群速度色散参量,结果表明边界参量的变化对第一类边界模式传输特性的影响较小,该模式的平均群指数始终维持在5.0左右;第二类边界模式与第一类模式明显不同,边界参量的变化能够有效地影响到这种模式的传输特性,该模式的最大平均群指数可达178左右.利用时域有限差分法记录了不同时刻电场强度在边界附近的分布及监测点处的电场幅度变化情况,结果表明,两类模式都能够被限制在边界附近并向前传播,时域有限差分法得到的群速度与平面波展开法的结果完全吻合. 相似文献
52.
By using first-principles calculations, we have systematically investigated the structural and electronic properties of an infinite linear monatomic Cu chain with an adsorbed CO molecule. We find that the bridge geometry is energeticabsally favored not only when the Cu–Cu bond below the molecule is unstretched, but also for a wide range of dCu–Cu up to about 4.20 Å, while the substitutional geometry is favored only in the hyperstretched situation dCu–Cu>4.80 Å. Charge density differences point out the electron transfer is from the Cu atoms to the adsorbed CO molecule. The binding mechanism of CO to Cu chain can be described by the Blyholder’s model, in terms of σ-donation of electron density from the nonbonding CO-5σ orbital into empty metal orbitals and π-backdonation from the occupied metal d orbitals to empty CO-2π⁎ orbital. The donation/backdonation process leads to the formation of bonding/antibonding pairs, 5σb/5σa and 2πb⁎/2πa⁎, with the 5σa lying above Ef and the 2πb⁎ below Ef. 相似文献
53.
54.
通过采用预估矫正的时域有限差分方法(FDTD)数值求解Maxwell-Bloch方程,研究飞秒啁啾脉冲激光在4,4’-二(二正丁胺基)二苯乙烯(BDBAS)分子介质中的光限幅行为(OL)和动态双光子吸收(TPA)截面.计算表明啁啾率的符号和大小都对频谱演化和光限幅行为产生影响.啁啾率的符号决定频移的方向:正啁啾对应频谱蓝移,负啁啾对应频谱红移.随着啁啾率绝对值的增大,频移更加明显,光限幅窗口变窄,同时出射光强饱和值变大.有趣的是,当负啁啾降低到一定值(-0.025/fs2)时,出现自感应透明(SIT)现象.另外,动态双光子吸收截面在考虑啁啾效应的情况下减小.本研究提供了一种控制非线性光学吸收的方法. 相似文献
55.
分子量级超薄油膜的润滑特性与流体润滑及边界润滑的都有所不同,而且在超薄油膜中也同样存在着润滑剂的流动。因此,利用分子动力学方法模拟了超薄油膜中的压力流动,模拟中采用了刚性分子流体模型,重点研究固体壁面对流动的影响,结果表明,当油膜厚度远比流体分子“直径”大时,模拟所得速度剖面和流量均与流体力学的理论值基本一致;随着油膜厚度逐渐变薄,压力流动或动压流因受到固体壁面的阻碍作用而不断减小;当油膜厚度减小到几个分子直径量级时,两固体壁面之间的流体分子发生固化或晶体化,由此而导致压力流动消失。这可能是流体动力润滑向边界润滑转化的机理之一。由这些研究结果可见,分子动力学模拟在薄膜润滑研究中具有广阔的应用前景。 相似文献
56.
《Physics letters. A》2020,384(9):126190
We propose a single-molecule electrical switches consisting of a photochromic dimethyldihydropyrene/cyclophanediene molecule sandwiched between two graphene electrodes and investigate the electronic transport by using density-functional theory and nonequilibrium Green's function methods. The “open” and “closed” isomers of the photochromic molecule are shown to have electrical switching behavior and negative differential resistance effect. Moreover, it is also found that the switching ratio between two different conductive states depends on the ambient temperature, and the device behaves as a stable electrical switch around room temperature, which is in agreement with a recent experimental study of another photochromic molecule diarylethene reported by Jia et al. (2016) [17]. 相似文献
57.
《Physics letters. A》2020,384(32):126796
We evaluated the total electron chirality in alanine, serine, and valine, which are molecules that have chiral structures. Previously, computations of the total electron chirality of molecules composed of only light elements are impossible within usual computational conditions of relativistic four-component wave functions. In this work, it is shown that the total electron chirality can be calculated if some diffuse functions are added to Gaussian basis sets. This is demonstrated for the H2O2 molecule. By adding diffuse Gaussian functions to basis sets, the total electron chirality of L-alanine, L-serine, and L-valine are evaluated. It is also shown that the total electron chirality is derived by the cancellation between large contributions from each orbital, and the total electron chirality in excited and ionized states is expected to be much larger than that of the ground state. 相似文献
58.
59.
The soliton molecules of the(1+1)-dimensional extended modified Korteweg–de Vries(mKdV)system are obtained by a new resonance condition, which is called velocity resonance. One soliton molecule and interaction between a soliton molecule and one-soliton are displayed by selecting suitable parameters. The soliton molecules including the bright and bright soliton, the dark and bright soliton, and the dark and dark soliton are exhibited in figures 1–3, respectively.Meanwhile, the nonlocal symmetry of the extended mKdV equation is derived by the truncated Painlevé method. The consistent Riccati expansion(CRE) method is applied to the extended mKdV equation. It demonstrates that the extended mKdV equation is a CRE solvable system. A nonauto-B?cklund theorem and interaction between one-soliton and cnoidal waves are generated by the CRE method. 相似文献
60.
Small molecule‐mediated glass transition of acrylic copolymers: Effect of hydrogen bonding strength on glass transition temperature 下载免费PDF全文
Chongyang Liu Xiaotong Yin Yu Lin Aiguo Guan Guozhang Wu 《Journal of Polymer Science.Polymer Physics》2015,53(6):400-408
Poly(styrene‐co‐ethyl acrylate) [P(St‐co‐EA)] with different ratios of St/EA was mixed with the small molecule 4,4′‐thio‐bis(6‐tert‐butyl‐m‐methyl phenol) (AO300) to investigate the influence of hydrogen bonding strength on the glass transition behavior. The glass transition temperature (Tg) linearly increased after adding AO300, and the slope value decreased with increased St/EA ratio. All lines could be extended to 62 °C, demonstrating that Tg of the small molecule in situ detected by the polymer chain was much higher than that by small molecule itself (29 °C). Fourier transform infrared spectroscopy analysis showed that the small molecules began to be self‐associated at a concentration where the hydrogen bonded carbonyl ratio of the bulk polymer was approximately 0.5 and irrespective of the St/EA ratio. Above the critical loading, the mixture's Tg negatively deviated from the linearly extended lines because of self‐association of the small molecules. The apparent Tg of AO300 was found to strongly depend on intermolecular hydrogen bonding number and strength. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2015 , 53, 400–408 相似文献